REMARK  Name = BDB023713
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.035  -0.822   0.314  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -0.819  -2.019  -0.347  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        0.423  -2.769  -0.119  0.00  0.00    +0.145 C 
ATOM      4  C   LIG    1        0.230  -4.108  -0.835  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1       -1.279  -4.290  -0.832  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -1.801  -2.863  -1.018  0.00  0.00    +0.139 C 
ATOM      7  O   LIG    1       -0.144  -0.350   1.028  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.610  -1.979  -0.661  0.00  0.00    +0.158 C 
ATOM      9  N   LIG    1        2.396  -1.231   0.177  0.00  0.00    -0.286 N 
ATOM     10  H   LIG    1        1.826  -0.635   0.785  0.00  0.00    +0.151 HD
ATOM     11  C   LIG    1        3.291  -0.513  -0.693  0.00  0.00    +0.230 C 
ATOM     12  C   LIG    1        3.209   0.974  -0.508  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        4.277   1.427   0.281  0.00  0.00    -0.038 A 
ATOM     14  C   LIG    1        4.391   2.760   0.637  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        3.418   3.651   0.178  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        2.352   3.203  -0.617  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.159   0.285   0.685  0.00  0.00    +0.041 C 
ATOM     18  C   LIG    1        2.242   1.855  -0.964  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        4.761  -0.786  -0.340  0.00  0.00    +0.081 C 
ATOM     20  O   LIG    1        2.996  -0.968  -2.020  0.00  0.00    -0.361 OA
ATOM     21  N   LIG    1        1.908  -1.900  -1.932  0.00  0.00    -0.069 NA
ENDBRANCH   3   8
BRANCH   5  22
ATOM     22  O   LIG    1       -1.681  -4.818   0.432  0.00  0.00    -0.390 OA
ATOM     23  H   LIG    1       -2.637  -4.991   0.391  0.00  0.00    +0.210 HD
ENDBRANCH   5  22
BRANCH   1  24
ATOM     24  C   LIG    1       -2.398  -0.117   0.130  0.00  0.00    +0.146 C 
BRANCH  24  29
ATOM     25  C   LIG    1       -3.344   3.152   3.960  0.00  0.00    +0.069 C 
ATOM     26  C   LIG    1       -2.893   2.453   2.737  0.00  0.00    +0.081 A 
ATOM     27  N   LIG    1       -2.092   3.075   1.864  0.00  0.00    -0.083 NA
ATOM     28  O   LIG    1       -1.841   2.154   0.864  0.00  0.00    -0.359 OA
ATOM     29  C   LIG    1       -2.516   1.001   1.122  0.00  0.00    +0.150 A 
ATOM     30  C   LIG    1       -3.196   1.141   2.310  0.00  0.00    +0.071 A 
ENDBRANCH  24  29
BRANCH  24  31
ATOM     31  C   LIG    1       -2.711   0.301  -1.333  0.00  0.00    +0.002 C 
ATOM     32  C   LIG    1       -4.045   1.050  -1.454  0.00  0.00    +0.008 C 
ATOM     33  C   LIG    1       -1.597   1.091  -2.025  0.00  0.00    +0.008 C 
ENDBRANCH  24  31
ENDBRANCH   1  24
TORSDOF 5